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Publications

Publications by Yang Shao-horn. Show all publications

S. Gong, T. Xie, Y. Shao-Horn, R. Gomez-Bombarelli, and J. Grossman
Examining graph neural networks for crystal structures: limitations and opportunities for capturing periodicity
(2022)
10.21203/rs.3.rs-2042719/v1
S. I. Etkind, J. Lopez, Y. G. Zhu, J. Fang, W. J. Ong, Y. Shao-Horn, and T. M. Swager
Thianthrene-Based Bipolar Redox-Active Molecules Toward Symmetric All-Organic Batteries
ACS Sustainable Chemistry & Engineering 10 11739-11750 (2022)
10.1021/acssuschemeng.2c01717
J. Peng, L. Giordano, T. C. Davenport, and Y. Shao-Horn
Stability Design Principles of Manganese-Based Oxides in Acid
Chemistry of Materials 34 7774-7787 (2022)
10.1021/acs.chemmater.2c01233
T. M. Narayanan, G. He, E. Gençer, Y. Shao-Horn, and D. S. Mallapragada
Role of Liquid Hydrogen Carriers in Deeply Decarbonized Energy Systems
ACS Sustainable Chemistry & Engineering 10 10768-10780 (2022)
10.1021/acssuschemeng.2c00909
T. Xie, A. France-Lanord, Y. Wang, J. Lopez, M. A. Stolberg, M. Hill, G. M. Leverick, R. Gomez-Bombarelli, J. A. Johnson, Y. Shao-Horn, and J. C. Grossman
Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties
Nature Communications 13 (2022)
10.1038/s41467-022-30994-1
S. Yuan, J. Peng, Y. Zhang, D. J. Zheng, S. Bagi, T. Wang, Y. Román-Leshkov, and Y. Shao-Horn
Tuning the Catalytic Activity of Fe-Phthalocyanine-Based Catalysts for the Oxygen Reduction Reaction by Ligand Functionalization
ACS Catalysis 12 7278-7287 (2022)
10.1021/acscatal.2c00184
J. J. Giner-Sanz, G. M. Leverick, L. Giordano, V. Pérez-Herranz, and Y. Shao-Horn
Alkali Metal Salt Interference on the Salicylate Method for Quantifying Ammonia from Nitrogen Reduction
ECS Advances 1 024501 (2022)
10.1149/2754-2734/ac6a68
G. Leverick, Y. G. Zhu, S. Lohmar, F. Bardé, S. Cotte, and Y. Shao-Horn
Six-Electron Reduction of LiIO3 to LiOH in Aprotic Solvents and Implications for Li–O2 Batteries
The Journal of Physical Chemistry C 126 8256-8267 (2022)
10.1021/acs.jpcc.2c01888
J. R. Lunger, N. Lutz, J. Peng, M. Bajdich, and Y. Shao-Horn
Cation-Dependent Multielectron Kinetics of Metal Oxide Splitting
Chemistry of Materials 34 3872-3881 (2022)
10.1021/acs.chemmater.2c00602
P. Sebastián-Pascual, Y. Shao-Horn, and M. Escudero-Escribano
Toward understanding the role of the electric double layer structure and electrolyte effects on well-defined interfaces for electrocatalysis
Current Opinion in Electrochemistry 32 100918 (2022)
10.1016/j.coelec.2021.100918
Department of Energy
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the Department of Energy.